4-N-benzylpyrido[4,3-d]pyrimidine-4,7-diamine

C14H13N5 — CID 5328077

IUPAC4-N-benzylpyrido[4,3-d]pyrimidine-4,7-diamine
SMILESNc1cc2ncnc(NCc3ccccc3)c2cn1
InChIInChI=1S/C14H13N5/c15-13-6-12-11(8-16-13)14(19-9-18-12)17-7-10-4-2-1-3-5-10/h1-6,8-9H,7H2,(H2,15,16)(H,17,18,19)
InChIKeyJBRBEQRTMVYDCU-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.22
Rot. Bonds3

About 4-N-benzylpyrido[4,3-d]pyrimidine-4,7-diamine

4-N-benzylpyrido[4,3-d]pyrimidine-4,7-diamine (PubChem CID 5328077) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-N-benzylpyrido[4,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-benzylpyrido[4,3-d]pyrimidine-4,7-diamine
PubChem CID5328077
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name4-N-benzylpyrido[4,3-d]pyrimidine-4,7-diamine
SMILESNc1cc2ncnc(NCc3ccccc3)c2cn1
InChIInChI=1S/C14H13N5/c15-13-6-12-11(8-16-13)14(19-9-18-12)17-7-10-4-2-1-3-5-10/h1-6,8-9H,7H2,(H2,15,16)(H,17,18,19)
InChIKeyJBRBEQRTMVYDCU-UHFFFAOYSA-N
XLogP2.22
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-benzylpyrido[4,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-benzylpyrido[4,3-d]pyrimidine-4,7-diamine (CID 5328077) is 4-N-benzylpyrido[4,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-benzylpyrido[4,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-benzylpyrido[4,3-d]pyrimidine-4,7-diamine is Nc1cc2ncnc(NCc3ccccc3)c2cn1.
What is the InChIKey of 4-N-benzylpyrido[4,3-d]pyrimidine-4,7-diamine?
The InChIKey is JBRBEQRTMVYDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c15-13-6-12-11(8-16-13)14(19-9-18-12)17-7-10-4-2-1-3-5-10/h1-6,8-9H,7H2,(H2,15,16)(H,17,18,19).
What are the key properties of 4-N-benzylpyrido[4,3-d]pyrimidine-4,7-diamine?
4-N-benzylpyrido[4,3-d]pyrimidine-4,7-diamine has a molecular weight of 251.29 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzylpyrido[4,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 5328077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).